3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole

C72H90F3N9O7 — CID 157481716

About 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole

3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole (PubChem CID 157481716) has the molecular formula C72H90F3N9O7 and a molecular weight of 1250.56 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole.

Molecular Properties

• Compound Name: 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole
• PubChem CID: 157481716
• Molecular Formula: C72H90F3N9O7
• Molecular Weight: 1250.56 g/mol
• Exact Mass: 1249.69
• IUPAC Name: 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole
• SMILES: COCCCc1[nH]nc2ccccc12.COCCCc1c2ccccc2nn1C.COCCCc1coc2ccccc12.COCCCc1nn(C)c2ccccc12.COCCCn1c(C(F)(F)F)nc2ccccc21.COCCCn1cc(C)c2ccccc21
• InChI: InChI=1S/C13H17NO.C12H13F3N2O.2C12H16N2O.C12H14O2.C11H14N2O/c1-11-10-14(8-5-9-15-2)13-7-4-3-6-12(11)13;1-18-8-4-7-17-10-6-3-2-5-9(10)16-11(17)12(13,14)15;1-14-12-8-4-3-6-10(12)11(13-14)7-5-9-15-2;1-14-12(8-5-9-15-2)10-6-3-4-7-11(10)13-14;1-13-8-4-5-10-9-14-12-7-3-2-6-11(10)12;1-14-8-4-7-11-9-5-2-3-6-10(9)12-13-11/h3-4,6-7,10H,5,8-9H2,1-2H3;2-3,5-6H,4,7-8H2,1H3;3-4,6,8H,5,7,9H2,1-2H3;3-4,6-7H,5,8-9H2,1-2H3;2-3,6-7,9H,4-5,8H2,1H3;2-3,5-6H,4,7-8H2,1H3,(H,12,13)
• InChIKey: BWFVBDQQMOVOGY-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 155.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1250.56
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole?

The IUPAC name of 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole (CID 157481716) is 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole.

What is the SMILES notation for 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole?

The canonical SMILES for 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole is COCCCc1[nH]nc2ccccc12.COCCCc1c2ccccc2nn1C.COCCCc1coc2ccccc12.COCCCc1nn(C)c2ccccc12.COCCCn1c(C(F)(F)F)nc2ccccc21.COCCCn1cc(C)c2ccccc21.

What is the InChIKey of 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole?

The InChIKey is BWFVBDQQMOVOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H13F3N2O.2C12H16N2O.C12H14O2.C11H14N2O/c1-11-10-14(8-5-9-15-2)13-7-4-3-6-12(11)13;1-18-8-4-7-17-10-6-3-2-5-9(10)16-11(17)12(13,14)15;1-14-12-8-4-3-6-10(12)11(13-14)7-5-9-15-2;1-14-12(8-5-9-15-2)10-6-3-4-7-11(10)13-14;1-13-8-4-5-10-9-14-12-7-3-2-6-11(10)12;1-14-8-4-7-11-9-5-2-3-6-10(9)12-13-11/h3-4,6-7,10H,5,8-9H2,1-2H3;2-3,5-6H,4,7-8H2,1H3;3-4,6,8H,5,7,9H2,1-2H3;3-4,6-7H,5,8-9H2,1-2H3;2-3,6-7,9H,4-5,8H2,1H3;2-3,5-6H,4,7-8H2,1H3,(H,12,13).

What are the key properties of 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole?

3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole has a molecular weight of 1250.56 g/mol, XLogP of 15.54, 24 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methoxypropyl)-1-benzofuran;3-(3-methoxypropyl)-2H-indazole;3-(3-methoxypropyl)-1-methylindazole;3-(3-methoxypropyl)-2-methylindazole;1-(3-methoxypropyl)-3-methylindole;1-(3-methoxypropyl)-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 157481716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).